![9H-Purine-9-acetic acid, 6-[(3-methylphenyl)thio]-, ethyl ester structure](/static/products/6465/646509-74-2.webp)
9H-Purine-9-acetic acid, 6-[(3-methylphenyl)thio]-, ethyl ester
ethyl 2-[6-(3-methylphenyl)sulfanylpurin-9-yl]acetate
Also Known As: 0.6 H2O|Ethyl 2-(6-(m-tolylthio)-9H-purin-9-yl)acetate|ethyl 2-[6-(m-tolylsulfanyl)purin-9-yl]acetate|ethyl 2-[6-(3-methylphenyl)sulfanylpurin-9-yl]acetate|9H-Purine-9-acetic acid, 6-[(3-methylphenyl)thio]-, ethyl ester|Ethyl {6-[(3-methylphenyl)sulfanyl]-9H-purin-9-yl}acetate
CAS: 646509-74-2
| Molecular Formula | C16H16N4O2S |
|---|---|
| Molecular Weight | 328.0994 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.0994 |
| Monoisotopic Mass | 328.0994 |
| Heavy Atoms | 23 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 646509-74-2 |
|---|---|
| SMILES | CCOC(=O)CN1C=NC2=C1N=CN=C2SC3=CC=CC(=C3)C |
| InChIKey | OKLQDMDCFZQYBJ-UHFFFAOYSA-N |
Product Overview
9H-Purine-9-acetic acid, 6-[(3-methylphenyl)thio]-, ethyl ester (CAS 646509-74-2), with molecular formula C16H16N4O2S and molecular weight 328.0994 g/mol. IUPAC: ethyl 2-[6-(3-methylphenyl)sulfanylpurin-9-yl]acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
9H-Purine-9-acetic acid, 6-[(3-methylphenyl)thio]-, ethyl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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